3-amino-N-(cyclopropylmethyl)-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride

C16H22ClF3N2O — CID 119952536

IUPAC3-amino-N-(cyclopropylmethyl)-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride
SMILESCl.NC(CC(=O)N(CCC(F)(F)F)CC1CC1)c1ccccc1
InChIInChI=1S/C16H21F3N2O.ClH/c17-16(18,19)8-9-21(11-12-6-7-12)15(22)10-14(20)13-4-2-1-3-5-13;/h1-5,12,14H,6-11,20H2;1H
InChIKeyYSRBQYHYSMNDBF-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.69
Rot. Bonds7

About 3-amino-N-(cyclopropylmethyl)-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride

3-amino-N-(cyclopropylmethyl)-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride (PubChem CID 119952536) has the molecular formula C16H22ClF3N2O and a molecular weight of 350.81 g/mol. Its IUPAC name is 3-amino-N-(cyclopropylmethyl)-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(cyclopropylmethyl)-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride
PubChem CID119952536
Molecular FormulaC16H22ClF3N2O
Molecular Weight350.81 g/mol
Exact Mass350.14
IUPAC Name3-amino-N-(cyclopropylmethyl)-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride
SMILESCl.NC(CC(=O)N(CCC(F)(F)F)CC1CC1)c1ccccc1
InChIInChI=1S/C16H21F3N2O.ClH/c17-16(18,19)8-9-21(11-12-6-7-12)15(22)10-14(20)13-4-2-1-3-5-13;/h1-5,12,14H,6-11,20H2;1H
InChIKeyYSRBQYHYSMNDBF-UHFFFAOYSA-N
XLogP3.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-3-phenylpropanamide
CID 119950843
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3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide
CID 60963492
3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide
CID 60953285
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3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride
CID 119949448
2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid
CID 103869512
5-amino-N-(cyclopropylmethyl)-2-methyl-N-(3,3,3-trifluoropropyl)benzamide;hydrochloride
CID 120638824
3-[(3-amino-3-phenylpropanoyl)-cyclopropylamino]propanoic acid
CID 61161827
3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide
CID 63226653
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
2-(aminomethyl)-N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119820496

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclopropylmethyl)-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(cyclopropylmethyl)-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride (CID 119952536) is 3-amino-N-(cyclopropylmethyl)-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(cyclopropylmethyl)-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(cyclopropylmethyl)-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride is Cl.NC(CC(=O)N(CCC(F)(F)F)CC1CC1)c1ccccc1.
What is the InChIKey of 3-amino-N-(cyclopropylmethyl)-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride?
The InChIKey is YSRBQYHYSMNDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O.ClH/c17-16(18,19)8-9-21(11-12-6-7-12)15(22)10-14(20)13-4-2-1-3-5-13;/h1-5,12,14H,6-11,20H2;1H.
What are the key properties of 3-amino-N-(cyclopropylmethyl)-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride?
3-amino-N-(cyclopropylmethyl)-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride has a molecular weight of 350.81 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclopropylmethyl)-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride is sourced from PubChem (CID 119952536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).